Propanenitrile, 3-(methylamino)- (HCID 69656)

Names & identifiers

Preferred name: Propanenitrile, 3-(methylamino)-
IUPAC: 3-(methylamino)propanenitrile
English name: 3-Methylaminopropionitrile
Molecular formula: C4H8N2
Molecular weight: 84.12

Names & synonyms

3-(Methylamino)propanenitrile693-05-03-MethylaminopropionitrilePropanenitrile, 3-(methylamino)-(2-Cyanoethyl)methyl aminePropionitrile, 3-(methylamino)-N-(2-Cyanoethyl)methylamine3-(N-Methylamino)propionitrile(2-Cyanoethyl)methylamineNSC 8399beta-(Methylamino)propionitrileN-(beta-Cyanoethyl)methylamine

Show more names

N-METHYL-BETA-ALANINENITRILE3-(Methyl3-A aMinopropionitrileMethylaMino)propionitrilN-METHYL-B-ALANINENITRILEMethyl(2-cyanoethyl)aminen-methyl-β-alaninenitrile

N-Methyl-beta-aminopropionitrilebeta-MethylaminopropionitrilEINECS 211-740-0beta-Methylaminopropionitril [German]BRN 1699160AI3-26057DTXSID80610043-04-00-01264 (Beilstein Handbook Reference)

Database identifiers

CAS: 693-05-0
PubChem CID: 69656
DTXSID: DTXSID8061004
EC Number: 211-740-0
Nikkaji: J27.768A

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 35.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 59

Physicochemical properties

Melting point: 49 · 49-50 °C
Boiling point: 182 · 182-186 °C
Density: 0.899 g/mL · 0.899 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.432(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform, Methanol
pka: 8.27 · 8.27±0.10(Predicted)
form: Liquid
color: Clear yellow
BRN: 1699160 · 1699160
InChI: 1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3
InChIKey: UNIJBMUBHBAUET-UHFFFAOYSA-N
SMILES: CNCCC#N
CAS DataBase Reference: 693 · 693-05-0(CAS DataBase Reference)
NIST Chemistry Reference: 3 · Propanenitrile, 3-(methylamino)-(693-05-0)
EPA Substance Registry System: 3 · Propanenitrile, 3-(methylamino)- (693-05-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 312 · H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P264-P280-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21-36/37/38
Safety Statements: 26 · 26-36/37-37/39
WGK Germany: 3 · 3
RTECS: 4910000 · TZ4910000
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29269095 · 29269095
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: TZ4910000
hs_code: 29269095
risk_code: 20/21-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 26-36/37-37/39
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P280-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications

Uses(3-MethylaMinopropionitrile) Aminoproponitriles can be used as inhibitors of oxidase enzymes and as a reagent for aminomethylphosphine ligands or the synthesis of aminobenzothiazoles.